BIM-0021780.P001
TL;DR: BIM-0021780.P001 (CAS 310447-11-1) is a chemical compound with molecular formula C18H16N4OS2 and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-7-methyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one
Also Known As: BIM-0021780.P001, AJ-292/13049134, 1-(benzylsulfanyl)-4-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(benzylthio)-4-methyl-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
| Molecular Formula | C18H16N4OS2 |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.4237 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.07657 |
| Heavy Atoms | 25 |
| Complexity | 1156.9592 |
Chemical Identifiers
| CAS Number | 310447-11-1 |
|---|---|
| SMILES | CN1C(=O)C2=C(N3C1=NN=C3SCC4=CC=CC=C4)SC5=C2CCC5 |
Product Overview
BIM-0021780.P001 (CAS 310447-11-1), with molecular formula C18H16N4OS2 and molecular weight 368.08 g/mol. IUPAC: 3-benzylsulfanyl-7-methyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one.
Chemical Property Profile of BIM-0021780.P001
Property Insights of BIM-0021780.P001
The XLogP value of 3.4237 indicates that BIM-0021780.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, BIM-0021780.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0021780.P001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0021780.P001?
The CAS number of BIM-0021780.P001 is 310447-11-1.
What is the molecular formula of BIM-0021780.P001?
The molecular formula of BIM-0021780.P001 is C18H16N4OS2.
What is the molecular weight of BIM-0021780.P001?
The molecular weight of BIM-0021780.P001 is 368.08 g/mol.
Where can I buy BIM-0021780.P001?
You can request a quote for BIM-0021780.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0021780.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0021780.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.